methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate

C22H28N2O5 — CID 10250386

IUPACmethyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate
SMILESCCC1(C(=O)CC(=O)OC)CCCN(C(=O)CC2CN(C)c3ccccc32)C1=O
InChIInChI=1S/C22H28N2O5/c1-4-22(18(25)13-20(27)29-3)10-7-11-24(21(22)28)19(26)12-15-14-23(2)17-9-6-5-8-16(15)17/h5-6,8-9,15H,4,7,10-14H2,1-3H3
InChIKeyHZEMEEWJUCYPAM-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.29
Rot. Bonds6

About methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate

methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate (PubChem CID 10250386) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate
PubChem CID10250386
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Namemethyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate
SMILESCCC1(C(=O)CC(=O)OC)CCCN(C(=O)CC2CN(C)c3ccccc32)C1=O
InChIInChI=1S/C22H28N2O5/c1-4-22(18(25)13-20(27)29-3)10-7-11-24(21(22)28)19(26)12-15-14-23(2)17-9-6-5-8-16(15)17/h5-6,8-9,15H,4,7,10-14H2,1-3H3
InChIKeyHZEMEEWJUCYPAM-UHFFFAOYSA-N
XLogP2.29
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate with MolForge

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Related Compounds

1-(3-azabicyclo[3.2.2]nonan-3-yl)-2-(1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 70965670
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672619
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 146137347
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747
methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
CID 70997252
methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
CID 110672592
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide
CID 58703332

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate?
The IUPAC name of methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate (CID 10250386) is methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate.
What is the SMILES notation for methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate?
The canonical SMILES for methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate is CCC1(C(=O)CC(=O)OC)CCCN(C(=O)CC2CN(C)c3ccccc32)C1=O.
What is the InChIKey of methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate?
The InChIKey is HZEMEEWJUCYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-4-22(18(25)13-20(27)29-3)10-7-11-24(21(22)28)19(26)12-15-14-23(2)17-9-6-5-8-16(15)17/h5-6,8-9,15H,4,7,10-14H2,1-3H3.
What are the key properties of methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate?
methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate has a molecular weight of 400.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-ethyl-1-[2-(1-methyl-2,3-dihydroindol-3-yl)acetyl]-2-oxopiperidin-3-yl]-3-oxopropanoate is sourced from PubChem (CID 10250386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).